orbital_charges     :real:2:4,4
  0.173882758060210E+001  0.109205118038705E+001  0.198567846953831E+001
  0.150621562964977E+001  0.679374260244056E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.174437546088251E+001
  0.108480846091933E+001  0.197525161027447E+001  0.151730402923706E+001
  0.676113318265347E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000
forces              :real:2:3,4
  0.277654278709061E-001  0.179001275876918E+000 -0.135815958765844E-001
 -0.125806220864132E-001  0.354247605280874E-001 -0.320700871969391E-002
 -0.363061942890766E-001 -0.173232437125523E+000  0.898572482212460E-002
  0.211213885045836E-001 -0.411935992794824E-001  0.780287977415371E-002
mermin_energy       :real:0:
 -0.725723560956646E+001
end_coords          :real:2:3,4
 -0.278940563448146E+000  0.118074993053981E+001  0.300893510257468E+000
  0.152635435768706E+001  0.171373580726257E+001  0.194951691885756E+000
  0.278940563448146E+000 -0.118074993053981E+001  0.565455148658517E+000
 -0.152635435768706E+001 -0.167594128749099E+001  0.194951691885756E+000
